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Details

Stereochemistry RACEMIC
Molecular Formula C13H17NO3
Molecular Weight 235.279
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTYLONE

SMILES

CCCC(NC)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=DFMLULIEUUXXSA-UHFFFAOYSA-N
InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H17NO3
Molecular Weight 235.279
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:16:53 UTC 2023
Edited
by admin
on Sat Dec 16 10:16:53 UTC 2023
Record UNII
IGN39WGH0Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTYLONE
Common Name English
BK-METHYL-K
Systematic Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)-
Systematic Name English
1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)PENTAN-1-ONE
Systematic Name English
J3.293.464A
Code English
DEA NO. 7542
Code English
BK-MBDP
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Pentylone
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
Code System Code Type Description
WIKIPEDIA
PENTYLONE
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
EVMPD
SUB195746
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
FDA UNII
IGN39WGH0Q
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID40101418
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
PUBCHEM
60208608
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
CAS
698963-77-8
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
SMS_ID
100000181861
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
DEA NO.
7542
Created by admin on Sat Dec 16 10:16:53 UTC 2023 , Edited by admin on Sat Dec 16 10:16:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY